16-Mercaptohexadecanoic acid

CAT: 0024-sc-251623ASize: 5 gDry Ice: NoHazardous: No

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CAT#:0024-sc-251623ASize:5 g

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CAS Number

69839-68-5

Chemical Information

16-Mercaptohexadecanoic acid

CAS Number	69839-68-5
PubChem CID	3522585
IUPAC Name	16-sulfanylhexadecanoic acid
Molecular Formula	C16H32O2S
Molecular Weight	288.5
XLogP	5.7
Topological Polar Surface Area	38.3
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	15
Heavy Atom Count	19
Formal Charge	0
Complexity	195

SMILES

C(CCCCCCCC(=O)O)CCCCCCCS

InChI

InChI=1S/C16H32O2S/c17-16(18)14-12-10-8-6-4-2-1-3-5-7-9-11-13-15-19/h19H,1-15H2,(H,17,18)

InChIKey

INOAASCWQMFJQA-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 69839-68-5

CID: 3522585

Formula: C16H32O2S

MW: 288.5

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	288.5
XLogP3	5.7
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	15
Exact Mass	288.21230143
Monoisotopic Mass	288.21230143
Topological Polar Surface Area	38.3 Å²
Heavy Atom Count	19
Formal Charge	0
Complexity	195
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
283094-01	16-Mercaptohexadecanoic Acid
MBS393784-01	Hexadecanoic-16,16,16-D3 Acid
TMID-0177-01	Palmitic acid-16,16,16-d3
HY-W046056	16- (Benzyloxy) -16-oxohexadecanoic acid
GTR19276145-01	16-Methoxy-16-oxohexadecanoic acid
TWK01905	16α-Hydroxydehydrotrametenolic acid
TRC-H281295-100MG	16-Heptadecynoic Acid
HY-W036513	16-Bromohexadecanoic acid
BHA39068-01	16±-Hydroxytrametenolic acid
HY-23629-01	16-Aminohexadecanoic acid